(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-tert-butylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-tert-butylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-tert-butylphenoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C25H34N2O4/c1-25(2,3)20-5-7-22(8-6-20)29-17-21(28)16-27-12-10-26(11-13-27)15-19-4-9-23-24(14-19)31-18-30-23/h4-9,14,21,28H,10-13,15-18H2,1-3H3/p+1/t21-/m1/s1